N-piperidin-3-ylpyridazin-4-amine

C9H14N4 — CID 68836902

IUPACN-piperidin-3-ylpyridazin-4-amine
SMILESc1cc(NC2CCCNC2)cnn1
InChIInChI=1S/C9H14N4/c1-2-8(6-10-4-1)13-9-3-5-11-12-7-9/h3,5,7-8,10H,1-2,4,6H2,(H,11,13)
InChIKeyGQRNYKJEDXQTOU-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.64
Rot. Bonds2

About N-piperidin-3-ylpyridazin-4-amine

N-piperidin-3-ylpyridazin-4-amine (PubChem CID 68836902) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N-piperidin-3-ylpyridazin-4-amine.

Molecular Properties

Compound NameN-piperidin-3-ylpyridazin-4-amine
PubChem CID68836902
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN-piperidin-3-ylpyridazin-4-amine
SMILESc1cc(NC2CCCNC2)cnn1
InChIInChI=1S/C9H14N4/c1-2-8(6-10-4-1)13-9-3-5-11-12-7-9/h3,5,7-8,10H,1-2,4,6H2,(H,11,13)
InChIKeyGQRNYKJEDXQTOU-UHFFFAOYSA-N
XLogP0.64
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-ylpyridazin-4-amine?
The IUPAC name of N-piperidin-3-ylpyridazin-4-amine (CID 68836902) is N-piperidin-3-ylpyridazin-4-amine.
What is the SMILES notation for N-piperidin-3-ylpyridazin-4-amine?
The canonical SMILES for N-piperidin-3-ylpyridazin-4-amine is c1cc(NC2CCCNC2)cnn1.
What is the InChIKey of N-piperidin-3-ylpyridazin-4-amine?
The InChIKey is GQRNYKJEDXQTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-8(6-10-4-1)13-9-3-5-11-12-7-9/h3,5,7-8,10H,1-2,4,6H2,(H,11,13).
What are the key properties of N-piperidin-3-ylpyridazin-4-amine?
N-piperidin-3-ylpyridazin-4-amine has a molecular weight of 178.24 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-ylpyridazin-4-amine is sourced from PubChem (CID 68836902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).